{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.284773 1.136187 2.117179 ] [ 0.232979 2.36751 0.607179 ] [ 0.4870779 2.766051 2.845032 ] [ 1.778488 1.070505 1.035652 ] [ 2.177899 0.7799475 2.527686 ] [ 2.528264 2.860392 0.629956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.84773e-11 1.136187e-10 2.117179e-10 ] [ 2.32979e-11 2.36751e-10 6.07179e-11 ] [ 4.870779e-11 2.766051e-10 2.845032e-10 ] [ 1.778488e-10 1.070505e-10 1.035652e-10 ] [ 2.177899e-10 7.799475000000001e-11 2.527686e-10 ] [ 2.528264e-10 2.860392e-10 6.29956e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -162.577663 -194.7376951 26.0223418 ] [ -9.0015332 42.3657187 -39.3912766 ] [ 26.0252373 171.1037136 72.848197 ] [ -239.896785 200.8762291 -1330.8330254 ] [ 377.0418002 -249.7055742 1275.5304211 ] [ 8.4089438 30.0976078 -4.1766579 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.604781307229012e-07 -3.120041822776987e-07 4.169238765042659e-08 ] [ -1.442204604439501e-08 6.787736402452938e-08 -6.311178243198611e-08 ] [ 4.169702675283212e-08 2.74138369661979e-07 1.167156781008327e-07 ] [ -3.843570203320841e-07 3.218391979384846e-07 -2.132229559484413e-06 ] [ 6.040875573447848e-07 -4.000724330666796e-07 2.043625019805599e-06 ] [ 1.347261316198111e-08 4.822168355916772e-08 -6.691743640459625e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 163.79253 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.624245622276826e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.1258621 0.8569718 2.1124116 ] [ 0.2553055 2.4628943 0.599556 ] [ 0.8048989 2.87644 2.6998898 ] [ 1.6915941 0.7837575 0.5543383 ] [ 2.2411884 1.1973036 2.6546719 ] [ 2.3706318 2.8032254 1.1418165 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.258621e-11 8.569718e-11 2.1124116e-10 ] [ 2.553055e-11 2.4628943e-10 5.99556e-11 ] [ 8.048989e-11 2.87644e-10 2.6998898e-10 ] [ 1.6915941e-10 7.837575000000001e-11 5.543383e-11 ] [ 2.2411884e-10 1.1973036e-10 2.6546719e-10 ] [ 2.3706318e-10 2.8032254e-10 1.1418165e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.5e-06 8.9e-06 3.86e-05 ] [ 2.7e-06 3.89e-05 2.56e-05 ] [ -3.22e-05 2.28e-05 -4e-07 ] [ 6.77e-05 -4.07e-05 -2.36e-05 ] [ -1.96e-05 -5.04e-05 -4.3e-06 ] [ -1.61e-05 2.06e-05 -3.59e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.005441552e-15 1.425937192512e-14 6.184401756288e-14 ] [ 4.32587687616e-15 6.232467054911999e-14 4.101572149248001e-14 ] [ -5.159008718975999e-14 3.652962695424e-14 -6.408706483200001e-16 ] [ 1.0846735722816e-13 -6.520858846656e-14 -3.781136825088e-14 ] [ -3.140266176767999e-14 -8.074970168832e-14 -6.889359469440001e-15 ] [ -2.579504359488e-14 3.300483838848e-14 -5.751814068672e-14 ] ] } "relaxed-potential-energy" { "source-value" -40.305538 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.457659067236599e-18 } }